D 4933
TL;DR: D 4933 (CAS 62401-99-4) is a chemical compound with molecular formula C17H21N5O6 and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]-2-hydroxypropyl]-3-methylpurine-2,6-dione
Also Known As: D 4933, 5-26-14-00055 (Beilstein Handbook Reference), 7-(3-((2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl)amino)-2-hydroxypropyl)theophylline, Theophylline, 7-(3-((2-(3,5-dihydroxyphenyl)-2-hydroxyethyl)amino)-2-hydroxypropyl)-, 7-(3-{[2-(3,5-Dihydroxyphenyl)-2-hydroxyethyl]amino}-2-hydroxypropyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C17H21N5O6 |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | -1.4814 |
| Topological Polar Surface Area | 165.63 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.14917 |
| Heavy Atoms | 28 |
| Complexity | 1081.3416 |
Chemical Identifiers
| CAS Number | 62401-99-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C=N2)CC(CNCC(C3=CC(=CC(=C3)O)O)O)O |
Product Overview
D 4933 (CAS 62401-99-4), with molecular formula C17H21N5O6 and molecular weight 391.15 g/mol. IUPAC: 7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]-2-hydroxypropyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of D 4933
Property Insights of D 4933
The XLogP value of -1.4814 indicates that D 4933 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 165.63 Ų indicates high polarity, suggesting D 4933 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D 4933 has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D 4933?
The CAS number of D 4933 is 62401-99-4.
What is the molecular formula of D 4933?
The molecular formula of D 4933 is C17H21N5O6.
What is the molecular weight of D 4933?
The molecular weight of D 4933 is 391.15 g/mol.
Where can I buy D 4933?
You can request a quote for D 4933 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D 4933?
Yes, KEHONG BIO provides custom synthesis services for D 4933 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.